6P1E

Cu-bound PmoF1 PCuAC domain (dimer)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.37
Spacegroup name	P 21 21 21
Unit cell lengths	55.407, 60.486, 76.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.941 - 1.605
R-factor	0.1735
Rwork	0.173
R-free	0.19050
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CRANK2
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.070	0.063	0.392
Rmeas	0.073	0.066	0.430
Rpim	0.021	0.019	0.174
Total number of observations	336434
Number of reflections	33794	3636	2935
<I/σ(I)>	16.3
Completeness [%]	98.0	98.9	87.2
Redundancy	10	12.2	5.1
CC(1/2)		0.991	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M potassium thiocyanate, 20% PEG3350